7-azanyl-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-(4-hydroxy-3,5-dimethyl-benzyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c1-7-3-9(4-8(2)13(7)19)5-10-6-23-15-11(17)14(20)18(15)12(10)16(21)22/h3-4,11,15,19H,5-6,17H2,1-2H3,(H,21,22)